(1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone

C17H12F3NO — CID 132539408

IUPAC(1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCn1ccc2cc(C(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C17H12F3NO/c1-21-9-8-12-10-13(4-7-15(12)21)16(22)11-2-5-14(6-3-11)17(18,19)20/h2-10H,1H3
InChIKeyOYIPVAOOABQGHS-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.43
Rot. Bonds2

About (1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone

(1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 132539408) has the molecular formula C17H12F3NO and a molecular weight of 303.28 g/mol. Its IUPAC name is (1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID132539408
Molecular FormulaC17H12F3NO
Molecular Weight303.28 g/mol
Exact Mass303.09
IUPAC Name(1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCn1ccc2cc(C(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C17H12F3NO/c1-21-9-8-12-10-13(4-7-15(12)21)16(22)11-2-5-14(6-3-11)17(18,19)20/h2-10H,1H3
InChIKeyOYIPVAOOABQGHS-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Xlr 11
CID 57501498
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
AM-694
CID 9889172
(4-Fluoronaphthalen-1-yl)(1-pentyl-1h-indol-3-yl)methanone
CID 71454236
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
1,1'-(9-(2-((1-Methylethyl)amino)ethyl)-9H-carbazole-3,6-diyl)bis(ethanone)
CID 44519124
(1-hexyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 52224389
Jwh-167
CID 44397502

Frequently Asked Questions

What is the IUPAC name of (1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 132539408) is (1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone is Cn1ccc2cc(C(=O)c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of (1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is OYIPVAOOABQGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO/c1-21-9-8-12-10-13(4-7-15(12)21)16(22)11-2-5-14(6-3-11)17(18,19)20/h2-10H,1H3.
What are the key properties of (1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
(1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 303.28 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-5-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 132539408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).